SCHEMBL16628175

SCHEMBL16628175

C[C@@H]1O[C@@H](CCCI)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.40
CA9 Q16790 2/20 0.31
IDUA P35475 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21449766 0.82 FUCA1 (0.41) FUCA1
SCHEMBL16644799 0.82 FUCA1 (0.41) FUCA1
SCHEMBL23849014 0.82 FUCA1 (0.41) FUCA1
SCHEMBL10766765 0.80
SCHEMBL21449884 0.80 FUCA1 (0.40) FUCA1CA9IDUACA12CA2
SCHEMBL16644838 0.80 SPHK2 (0.43) FUCA1
SCHEMBL23640277 0.78 SPHK2 (0.46) FUCA1
SCHEMBL16640754 0.77 FUCA1 (0.38) FUCA1
SCHEMBL21449807 0.77 FUCA1 (0.44) FUCA1CA9IDUACA12CA2
SCHEMBL22373060 0.77 FUCA1 (0.44) FUCA1CA9IDUACA12CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016164288-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
WO-2015051052-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO disclosed